By default the geometric center of atoms in each mask is used. The
'mass' keyword will use center of mass instead. This information is in
the Amber 17 manual (28.9.1 angle, page 589).
-Dan
On Tue, Sep 19, 2017 at 9:44 AM, Sowmya Indrakumar <soemya.kemi.dtu.dk> wrote:
> Dear Amber Users,
>
> I wish to calculate the angle between the two subdomains. For instance, if 1-30 (subdomian I), residue 31 is the hinge residue, 32-70(subdomain II).
>
> So this is how I have calculated the angle
>
> angle .1-30 .31 . 32-70 out *.dat
>
> So my question here is, does it consider the COM when I mention .1-30 (center of Mass of residue 1 to 30)??
> I look forward for you're comments/suggestions.
> Thanks
> Regards
> Sowmya
>
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Sep 19 2017 - 08:00:05 PDT
